CID 7275217

6-chloro-n-(2-ethylphenyl)nicotinamide

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
CCC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O/c1-2-10-5-3-4-6-12(10)17-14(18)11-7-8-13(15)16-9-11/h3-9H,2H2,1H3,(H,17,18)
InChIKey
BTJXHSOORUYCNF-UHFFFAOYSA-N
Compound name
6-chloro-N-(2-ethylphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07166 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.078936 157.2
[M+Na]+ 283.060878 165.7
[M-H]- 259.064384 162.6
[M+NH4]+ 278.105483 173.3
[M+K]+ 299.034818 160.2
[M+H-H2O]+ 243.068920 149.6
[M+HCOO]- 305.069861 176.2
[M+CH3COO]- 319.085511 196.9
[M+Na-2H]- 281.046326 162.6
[M]+ 260.07111142 159.1
[M]- 260.07220858 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.